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Chemical Process Simulation


Chemical process simulation is the representation of a chemical process through a mathematical model that involves the calculation of mass and energy balances, which is coupled with phase equilibrium, transport, and chemical kinetics equations. Multiple steady-state simulation tools are created to help scientists to analyze and design the optimal chemical process, helping to develop performance improvement strategies, monitor and optimize chemical process, and decreases the amount of trial and error at the R&D stage.

Chemical process simulation of the connections of equipments to build up a process plant.Figure 1. Chemical process simulation of the connections of equipments to build up a process plant. (Kamaruddin, M.; Hamid, A. 2007)

Application of Chemical Process Simulation

  • Study the internal phenomena of the chemical process.
  • Optimal design, planning, decision-making, control and management of chemical systems.
  • Establish a more environmentally friendly and sustainable chemical process.

Our Services

Alfa Chemistry provides accurate chemical process simulation for our clients. The necessary thermal, chemical and biochemical processes are investigated including rigorous quantification applying different kinds of process analytics. We offer process simulation, energy optimization, economic assessment, sustainability analysis and so on. Our chemical process simulation services include the following:

Batch production is widely used for the manufacture of fine chemicals and is particularly suitable when production quantities are small, or when the procedure or the product demand is likely to change. Batch process simulation and scheduling tools can facilitate process development in organic synthesis and biotechnology. We provide various and comprehensive models that allow for the simulation of almost all batch chemical process.

De-bottlenecking is the process of identifying specific areas and/or equipment that limit the flow of product and optimizing them so that overall capacity can be increased. Our teams can perform steady-state simulation methods to remove bottlenecks in existing chemical process. Alfa Chemistry provides computational fluid dynamics and computer aided design approach to conduct the de-bottlenecking operation.

We have developed and validated a computationally-efficient numerical method applying a pseudo-eulerian formulation for the design calculation of unit operations. This method is applicable to any unit operation that can be modelled using a system of unit operations design. In addition, our teams use computational fluid dynamics to analyze the process parameters of fluid affecting both the individual and interconnected unit.

Assessing the environmental risks of chemical substances is a prerequisite for the safe use of chemical substances. In order to estimate the economic and technical feasibility of the proposed chemical process, our scientific staffs use an integrated assessment simulation model to perform the environmental impact calculation.

We use gas dispersion modelling in its assessment of the risks posed by potentially hazardous substances produced during the chemical process. Our gas dispersion model involves flammables or toxics and has been developed to be able to treat buoyant plumes and time varying releases.

Alfa Chemistry offers hydrodynamic and water quality models with powerful data processing capabilities and a large number of model building tools, to carry out the online tracking of hydraulic operation status of water supply system and optimize the clean water systems.

We have applied our computational technique which is developed based on the principles of process integration to handle various issues such as capacity, performance, operating costs and utility consumption. It has been applied successfully not only to energy systems (thermal heat recovery, pressure drop recovery, power generation), but also fresh water conservation, wastewater minimization, production capacity de-bottlenecking, and management of chemical species in complex manufacturing processes.

Chemical modeling helps to design continuous plate reactors for better thermal control and product sterilization performance. Our simulation studies include the use of artificial networks for modeling the sterilization process, and the prediction of the temperature variation of the slowest heating zone with time. In addition, latent heat models are developed to calculate heat-transfer coefficients in vessels.

Waste stream characterization study is a formal methodology for analyzing, sorting, and categorizing disposed materials into identifiable categories. Alfa Chemistry has used simulation methods to create a baseline dataset to improve future waste stream reduction and diversion activities.

Advantages of Chemical Process Simulation

  • Comprehensive calculation of various chemical process
  • Accurate calculation and analysis
  • Experienced professionals
  • Cost-effective and high-quality
  • Rapid calculation

Alfa Chemistry provides a diversity of chemical simulation techniques to simulate, control and optimize various chemical processes. Our fast and high-quality reaction mechanism calculation services assist in understanding reaction results and mechanisms and satisfy your innovative scientific research. If you have any questions, please feel free to contact us.


  • Kamaruddin, M.; Hamid, A. Aspen HYSYS: An Introduction to Chemical Engineering Simulation. LAP LAMBERT Academic Publishing, 2007.

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